3-(oxan-2-ylmethylamino)propan-1-ol

C9H19NO2 — CID 13107960

IUPAC3-(oxan-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCO1
InChIInChI=1S/C9H19NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h9-11H,1-8H2
InChIKeyOTVLQADUWZSOHP-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds5

About 3-(oxan-2-ylmethylamino)propan-1-ol

3-(oxan-2-ylmethylamino)propan-1-ol (PubChem CID 13107960) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-ylmethylamino)propan-1-ol
PubChem CID13107960
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(oxan-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCO1
InChIInChI=1S/C9H19NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h9-11H,1-8H2
InChIKeyOTVLQADUWZSOHP-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(oxan-2-ylmethylamino)propan-1-ol (CID 13107960) is 3-(oxan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(oxan-2-ylmethylamino)propan-1-ol is OCCCNCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylamino)propan-1-ol?
The InChIKey is OTVLQADUWZSOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-6-3-5-10-8-9-4-1-2-7-12-9/h9-11H,1-8H2.
What are the key properties of 3-(oxan-2-ylmethylamino)propan-1-ol?
3-(oxan-2-ylmethylamino)propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 13107960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).